UCSF

ZINC86864052

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.33 -2.18 -52.01 4 6 1 87 154.153 0
Hi High (pH 8-9.5) -1.33 -2.48 -9.39 3 6 0 86 153.145 0

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.